Nitroxazepine

CAT: 0127-BUP08483-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08483-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

47439-36-1

Synonyms

CIBA 2330Go

Purity

=98%

Smiles

C(CCN(C)C)N1C=2C(OC=3C(C1=O)=CC(N(=O)=O)=CC3)=CC=CC2

Chemical Information

10-(3-(dimethylamino)propyl)-2-nitrodibenz(b,f)(1,4)-oxazepin-11(10H)-one

Nitroxazepine is an aromatic ether.

CAS Number	47439-36-1
PubChem CID	27857
IUPAC Name	5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one
Molecular Formula	C18H19N3O4
Molecular Weight	341.4
XLogP	2.8
Topological Polar Surface Area	78.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	493

SMILES

CN(C)CCCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22/h3-4,6-9,12H,5,10-11H2,1-2H3

InChIKey

CGYWLLGTCBIGSR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 47439-36-1

CID: 27857

Formula: C18H19N3O4

MW: 341.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	341.13755610
Monoisotopic Mass	341.13755610
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	493
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3844340-01	Nitroxazepine
HY-101684A	Nitroxazepine (hydrochloride)
A19888-1	Nitroxazepine 1mg
A19888-500	Nitroxazepine 500mg
A19888-100	Nitroxazepine 100mg
A19888-50	Nitroxazepine 50mg
A19888-25	Nitroxazepine 25mg
A19888-10	Nitroxazepine 10mg
A19888-5	Nitroxazepine 5mg
A19888-10mM-D	Nitroxazepine 10mM * 1mL in DMSO